Sensitivity enhancement in NMR of macromolecules by application of optimal control theory

Dominique P. Frueh; Takuhiro Ito; Jr Shin Li; Gerhard Wagner; Steffen J. Glaser; Navin Khaneja

doi:10.1007/s10858-005-3592-0

Sensitivity enhancement in NMR of macromolecules by application of optimal control theory

Dominique P. Frueh, Takuhiro Ito, Jr Shin Li, Gerhard Wagner, Steffen J. Glaser, Navin Khaneja

Research output: Contribution to journal › Article › peer-review

30 Scopus citations

Abstract

NMR of macromolecules is limited by large transverse relaxation rates. In practice, this results in low efficiency of coherence transfer steps in multidimensional NMR experiments, leading to poor sensitivity and long acquisition times. The efficiency of coherence transfer can be maximized by design of relaxation optimized pulse sequences using tools from optimal control theory. In this paper, we demonstrate that this approach can be adopted for studies of large biological systems, such as the 800 kDa chaperone GroEL. For this system, the ¹H- ¹⁵N coherence transfer module presented here yields an average sensitivity enhancement of 20-25% for cross-correlated relaxation induced polarization transfer (CRIPT) experiments.

Original language	English (US)
Pages (from-to)	23-30
Number of pages	8
Journal	Journal of Biomolecular NMR
Volume	32
Issue number	1
DOIs	https://doi.org/10.1007/s10858-005-3592-0
State	Published - May 2005
Externally published	Yes

Keywords

Cross-correlation
GroEL
Macromolecular NMR
Optimal control
Relaxation

ASJC Scopus subject areas

Biochemistry
Spectroscopy

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10.1007/s10858-005-3592-0

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title = "Sensitivity enhancement in NMR of macromolecules by application of optimal control theory",

abstract = "NMR of macromolecules is limited by large transverse relaxation rates. In practice, this results in low efficiency of coherence transfer steps in multidimensional NMR experiments, leading to poor sensitivity and long acquisition times. The efficiency of coherence transfer can be maximized by design of relaxation optimized pulse sequences using tools from optimal control theory. In this paper, we demonstrate that this approach can be adopted for studies of large biological systems, such as the 800 kDa chaperone GroEL. For this system, the 1H- 15N coherence transfer module presented here yields an average sensitivity enhancement of 20-25% for cross-correlated relaxation induced polarization transfer (CRIPT) experiments.",

keywords = "Cross-correlation, GroEL, Macromolecular NMR, Optimal control, Relaxation",

author = "Frueh, {Dominique P.} and Takuhiro Ito and Li, {Jr Shin} and Gerhard Wagner and Glaser, {Steffen J.} and Navin Khaneja",

note = "Funding Information: We thank Dr Dmitri Ivanov for useful discussions. This research was supported by grants from NIH (GM 47467 and RR00995 to GW) and NSF (NSF 0133673 and AFOSR FA9550-04-1-0427 to NK). SJG acknowledges support from the Deutsche Forschungsgemeinschaft (Gl 203/4-2).",

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doi = "10.1007/s10858-005-3592-0",

language = "English (US)",

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AU - Frueh, Dominique P.

AU - Ito, Takuhiro

AU - Li, Jr Shin

AU - Wagner, Gerhard

AU - Glaser, Steffen J.

AU - Khaneja, Navin

N1 - Funding Information: We thank Dr Dmitri Ivanov for useful discussions. This research was supported by grants from NIH (GM 47467 and RR00995 to GW) and NSF (NSF 0133673 and AFOSR FA9550-04-1-0427 to NK). SJG acknowledges support from the Deutsche Forschungsgemeinschaft (Gl 203/4-2).

PY - 2005/5

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N2 - NMR of macromolecules is limited by large transverse relaxation rates. In practice, this results in low efficiency of coherence transfer steps in multidimensional NMR experiments, leading to poor sensitivity and long acquisition times. The efficiency of coherence transfer can be maximized by design of relaxation optimized pulse sequences using tools from optimal control theory. In this paper, we demonstrate that this approach can be adopted for studies of large biological systems, such as the 800 kDa chaperone GroEL. For this system, the 1H- 15N coherence transfer module presented here yields an average sensitivity enhancement of 20-25% for cross-correlated relaxation induced polarization transfer (CRIPT) experiments.

AB - NMR of macromolecules is limited by large transverse relaxation rates. In practice, this results in low efficiency of coherence transfer steps in multidimensional NMR experiments, leading to poor sensitivity and long acquisition times. The efficiency of coherence transfer can be maximized by design of relaxation optimized pulse sequences using tools from optimal control theory. In this paper, we demonstrate that this approach can be adopted for studies of large biological systems, such as the 800 kDa chaperone GroEL. For this system, the 1H- 15N coherence transfer module presented here yields an average sensitivity enhancement of 20-25% for cross-correlated relaxation induced polarization transfer (CRIPT) experiments.

KW - Cross-correlation

KW - GroEL

KW - Macromolecular NMR

KW - Optimal control

KW - Relaxation

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Sensitivity enhancement in NMR of macromolecules by application of optimal control theory

Abstract

Keywords

ASJC Scopus subject areas

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